SCHEMBL7581044

SCHEMBL7581044

CCOc1cc(-c2ccc[nH]2)[nH]c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.42
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.36
GRK6 P43250 1/20 0.33
TACR2 P21452 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
GAA P10253 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DAO P14920 1/20 0.31
HCRTR1 O43613 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLA P06280 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3878362 0.85 TUBB4A (0.39) CDK2ALDH1A1LMNAKDM4ENPC1
SCHEMBL7581053 0.79 ALDH1A1 (0.38) ALDH1A1LMNAGRK6TACR2L3MBTL1
SCHEMBL4364501 0.79 EZH2 (0.49) ALDH1A1LMNAGAAPOLBKMT2A
SCHEMBL7514647 0.76 CDK2 (0.34) CDK2
SCHEMBL7514650 0.76 CDK2 (0.34) CDK2
SCHEMBL7574291 0.75 MAPT (0.43) CDK2ALDH1A1LMNAGAAMAPT
SCHEMBL7575243 0.75 ALDH1A1 (0.40) CDK2ALDH1A1GAAPOLBKMT2A
SCHEMBL4364499 0.75 PDGFRB (0.44) KMT2AMAPTKDM4EMEN1
SCHEMBL7770883 0.75 CDK2 (0.33) CDK2ALDH1A1GAAKMT2AMAPT
SCHEMBL7571849 0.75 CDK2 (0.33) CDK2ALDH1A1GAAKMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686147-B1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA ITALIA SPA (IT) 2002-09-25 EP disclosed
EP-1241162-A1 2,2'-bi-1H-pyrrole derivatives with immunosuppressant activity Pharmacia Italia S.p.A. (IT) 2002-09-18 EP disclosed
US-5691334-A IMMUNOMODULATORS FOR SKIN GRAFTS, AUTOIMMUNE AND FOR ORGAN TRANSPLANTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-25 US disclosed
EP-0686147-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-12-13 EP disclosed
WO-1995017381-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA S.P.A. (IT) 1995-06-29 WO disclosed